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Scissor calculation for electron-phonon coupling
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3
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121
|
March 18, 2024
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Issues with Relaxing a Ni(119) Slab
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10
|
124
|
March 13, 2024
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Question on Wannier90 get_projections when SOC is taken into account
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5
|
464
|
March 9, 2024
|
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Abipy workdir-error
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4
|
100
|
February 27, 2024
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PAW calculation in EPH
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2
|
107
|
January 22, 2024
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Convergence problem for icutcoul
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2
|
216
|
January 22, 2024
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ONCVPSP for Uranium? Xe.hpc.paw, Kr.hpc.paw?
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0
|
111
|
December 21, 2023
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Phonon eigenvectors at just one q-point
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1
|
136
|
December 10, 2023
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Missing file: scfo_DS3_1WF36
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0
|
132
|
November 16, 2023
|
|
Restart from previous DFPT calculations
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1
|
199
|
November 14, 2023
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DFPT calculations , wave-functions dont converge
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6
|
262
|
November 12, 2023
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Large deviations in single-atom total energy calculations
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3
|
176
|
November 10, 2023
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Temperature-dependent Fermi level in EPH code
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4
|
132
|
November 7, 2023
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DFTP NLO tutorial broken
|
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1
|
148
|
November 5, 2023
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Inconsistency in total energy with 2D cutoff
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1
|
128
|
October 24, 2023
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Kpt boundaries for cubic supercell
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3
|
392
|
October 11, 2023
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Hostfile to run abinit mpirun -np 32 -hostfile hosts ./abinit
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1
|
153
|
October 10, 2023
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How to interpret the warning "does not exist but found netcdf file with similar name."
|
|
1
|
112
|
October 6, 2023
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|
Crash while calculating non-linear optical response
|
|
9
|
236
|
October 4, 2023
|
|
NLO tutorial broken
|
|
16
|
293
|
October 3, 2023
|
|
Visualizing spin dynamics from .nc (NetCDF) files generated by multibinit
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0
|
93
|
October 3, 2023
|
|
Multibinit spin dynamics does not run in parallel on more than 1 CPU cores
|
|
11
|
173
|
October 3, 2023
|
|
Band structure calculation using Hybrid Functionals
|
|
0
|
214
|
September 26, 2023
|
|
Question about default parameters
|
|
0
|
92
|
September 26, 2023
|
|
Crash with DFPT chi2 calculation
|
|
1
|
162
|
September 25, 2023
|
|
Finite difference non-linear susceptibility gives zero
|
|
3
|
223
|
September 25, 2023
|
|
Hybrids-Defects & coulomb cuttoff
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|
0
|
149
|
September 20, 2023
|
|
Getshell: BUG - The calculated weights do not solve the linear system for all k-points
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|
2
|
146
|
September 4, 2023
|
|
Crash with PEAD NLO calculation
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|
0
|
149
|
August 28, 2023
|
|
Constrained relaxation, relax layers rigidly
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|
2
|
185
|
August 19, 2023
|